propan-2-yl N-(5-aminohexan-2-yl)carbamate

C10H22N2O2 — CID 123188257

IUPACpropan-2-yl N-(5-aminohexan-2-yl)carbamate
SMILESCC(N)CCC(C)NC(=O)OC(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)14-10(13)12-9(4)6-5-8(3)11/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyJSTUYNVOVRRUGJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.64
Rot. Bonds5

About propan-2-yl N-(5-aminohexan-2-yl)carbamate

propan-2-yl N-(5-aminohexan-2-yl)carbamate (PubChem CID 123188257) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is propan-2-yl N-(5-aminohexan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-aminohexan-2-yl)carbamate
PubChem CID123188257
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namepropan-2-yl N-(5-aminohexan-2-yl)carbamate
SMILESCC(N)CCC(C)NC(=O)OC(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)14-10(13)12-9(4)6-5-8(3)11/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyJSTUYNVOVRRUGJ-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
CID 20667102
methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
(5R)-hexane-2,5-diamine
CID 144618459
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-aminohexan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(5-aminohexan-2-yl)carbamate (CID 123188257) is propan-2-yl N-(5-aminohexan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-aminohexan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(5-aminohexan-2-yl)carbamate is CC(N)CCC(C)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(5-aminohexan-2-yl)carbamate?
The InChIKey is JSTUYNVOVRRUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)14-10(13)12-9(4)6-5-8(3)11/h7-9H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of propan-2-yl N-(5-aminohexan-2-yl)carbamate?
propan-2-yl N-(5-aminohexan-2-yl)carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-aminohexan-2-yl)carbamate is sourced from PubChem (CID 123188257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).